HRID179127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID15645905

4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine

C6H6ClN3O3

结构：CCOC(=O)COc1cc(Cl)c(N)cc1OCc1c(OC)ccc(F)c1F

HCID59309965

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1cc(Cl)c(Nc2nc(C)nc(OC)c2[N+](=O)[O-])cc1OCc1c(OC)ccc(F)c1F

HCID68515253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b55dba4aa624b86b90d5b57dfd7c294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:56][C:57]#[N:58].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[n:3][c:4]([CH3:13])[n:5][c:6]([O:11][CH3:12])[c:7]1[N+:8](=[O:9])[O-:10].[NH2:14][c:15]1[cH:16][c:17]([O:29][CH2:30][c:31]2[c:32]([F:40])[c:33]([F:39])[cH:34][cH:35][c:36]2[O:37][CH3:38])[c:18]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:26][c:27]1[Cl:28].[OH2:59]>>[c:2]1([NH:14][c:15]2[cH:16][c:17]([O:29][CH2:30][c:31]3[c:32]([F:40])[c:33]([F:39])[cH:34][cH:35][c:36]3[O:37][CH3:38])[c:18]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:26][c:27]2[Cl:28])[n:3][c:4]([CH3:13])[n:5][c:6]([O:11][CH3:12])[c:7]1[N+:8](=[O:9])[O-:10]